Dataset

ACETOPHENONE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP001491 contains the MS mass spectrum of ACETOPHENONE with the InChIkey KWOLFJPFCHCOCG-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
SMILES	CC(=O)c(c1)cccc1
InChI Key	KWOLFJPFCHCOCG-UHFFFAOYSA-N
Molecular Formula	C8H8O
Exact Mass	120.058 g/mol

Data and Resources

ACETOPHENONEHTML
Explore
- More information
- Go to resource

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP001491
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:57:07.263191
MetadataModified	2024-01-11T15:57:07.450010
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
C07113	KEGG Ligand
DB04619	DrugBank
CHEMBL274467	ChEMBL
27632	ChEBI
AC0	PDBe
474567	eMolecules
27632	Rhea
CB5694882	ChemicalBook
216162	Brenda
144362	Brenda
HMDB0033910	Human Metabolome Database
982	Brenda
5298	Brenda
175093	Brenda
207547	Brenda
MTBLC27632	Metabolights
ZINC000000896628	ZINC
50236986	BindingDB
HY-Y0989	MedChemExpress
DTXSID6021828	EPA CompTox Dashboard
7410	PubChem
PD005958	ProbesDrugs
124169	Brenda
15297136	PubChem: Thomson Pharma
98-86-2	ACToR
RK493WHV10	FDA SRS
10008725	NMRShiftDB
MCULE-4710225344	Mcule
ACETPH	CCDC
153621	Brenda
J3.225E	Nikkaji
SCHEMBL737	SureChEMBL
The data in this table is sourced from UniChem at EBI.